1-(4-azido-1-methyl-5-phenylsulfanyl-pyrrol-2-yl)ethanone

Systemtic Name: 1-(4-azido-1-methyl-5-phenylsulfanyl-pyrrol-2-yl)ethanone Openeye Name: 1-(4-azido-1-methyl-5-phenylsulfanyl-pyrrol-2-yl)ethanone CAS Name: 1-[4-azido-1-methyl-5-(phenylthio)-2-pyrrolyl]ethanone IUPAC Name: 1-(4-azido-1-methyl-5-phenylsulfanylpyrrol-2-yl)ethanone Traditional Name: 1-[4-azido-1-methyl-5-(phenylthio)pyrrol-2-yl]ethanone Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N1C)SC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(=O)C1=CC(=C(N1C)SC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C13H12N4OS/c1-9(18)12-8-11(15-16-14)13(17(12)2)19-10-6-4-3-5-7-10/h3-8H,1-2H3